SCHEMBL5592141

SCHEMBL5592141

COc1ccccc1C1(O)CCN(CCCN2C(=O)CCC2=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.65
SLC6A12 P48065 1/20 0.65
SLC6A11 P48066 1/20 0.65
SLC6A13 Q9NSD5 1/20 0.65
HTR1A P08908 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTR7 P34969 1/20 0.58
KMT2A Q03164 1/20 0.58
ADRA1D P25100 5/20 0.53
ADRA1A P35348 5/20 0.53
ADRA1B P35368 5/20 0.53
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.51
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5592234 0.99 SLC6A1 (0.64) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
SCHEMBL5592122 0.95 SLC6A1 (0.63) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
Hydrochloric Acid SCHEMBL5592131 0.94 SLC6A1 (0.62) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
Hydrochloric Acid SCHEMBL11254208 0.85 HTR1A (0.67) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
SCHEMBL5330447 0.84 SLC6A1 (0.60) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
SCHEMBL11808412 0.80 DRD2 (0.66) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
SCHEMBL5592286 0.80 MEN1 (0.50) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
SCHEMBL29462287 0.79 SLC6A1 (1.00) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
SCHEMBL4293184 0.79 SLC6A1 (1.00) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A
Hydrochloric Acid SCHEMBL5592275 0.79 MEN1 (0.49) SLC6A1SLC6A12SLC6A11SLC6A13HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed